N-[(3β)-3-Hydroxy-24-Oxochol-5-En-24-Yl]Glycine

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Properties Simple | Detailed

Formula C26H41NO4
IUPAC Name 2-[[(4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Mass 431.608 g·mol−1
Heat of Formation -979.9 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 560.82 Å 3
Surface Area 446.89 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid
  • 2-[[(4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
  • 2-[[(4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
  • 3-hydroxy-5-cholenoylglycine
  • 3beta-hydroxy-5-cholenoyl glycine
  • glycine, n-((3beta)-3-hydroxy-24-oxochol-5-en-24-yl)-
CAS Number(s)
  • 69776-17-6
InChIKey YVPDWGJLXBNGPX-ZHRHZKROSA-N
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